%chk=000201344.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201344

0 1
S -0.305924 2.095683 -0.044865
O -0.949961 -1.960829 -0.809845
O -1.109936 3.001625 0.762965
O -0.467148 2.114455 -1.482811
N -5.489978 0.862720 0.812311
C 3.271851 -2.382462 -0.065003
C 1.809700 -2.263827 0.379019
C 4.188502 -1.366589 0.630739
C 0.920375 -3.301279 -0.317988
C 4.190639 0.005357 -0.055796
C -0.556535 -3.102668 0.016298
C 5.186598 0.963245 0.613771
C -0.552326 0.457426 0.587111
C -1.922349 -0.050938 0.289374
C -2.089035 -1.294587 -0.358515
C 1.398399 2.369321 0.347458
C -3.060301 0.672787 0.650091
C 5.311279 2.283179 -0.141917
C -3.358384 -1.808840 -0.647146
C -4.344116 0.162154 0.363775
C 1.914851 3.563109 -0.438213
C -4.490561 -1.082618 -0.289408
H 3.343078 -2.267045 -1.164735
H 3.638797 -3.406500 0.147153
H 1.419135 -1.245109 0.146121
H 1.736602 -2.377586 1.477184
H 3.902956 -1.258734 1.694418
H 5.222071 -1.768625 0.644086
H 1.230807 -4.327587 -0.045766
H 1.046200 -3.221689 -1.420284
H 3.169341 0.448980 -0.039798
H 4.443373 -0.110542 -1.128036
H -1.178385 -3.957485 -0.298702
H -0.738053 -2.879228 1.078985
H 4.879505 1.156479 1.659882
H 6.183151 0.481562 0.678050
H -0.389709 0.421059 1.684639
H 0.198373 -0.270191 0.161865
H 1.541426 2.549043 1.431601
H 2.040304 1.480337 0.123453
H -2.954225 1.643045 1.148294
H 5.638562 2.127593 -1.176499
H 6.042094 2.945371 0.335730
H 4.352381 2.827099 -0.181284
H -3.447057 -2.764089 -1.162098
H 1.691045 3.478180 -1.514483
H 1.482544 4.509388 -0.084922
H 3.013628 3.645557 -0.343619
H -5.479718 -1.474534 -0.509078
H -5.360668 1.849471 0.996387
H -6.346398 0.683755 0.307851


%chk=000201344-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201344

0 1
S -0.805999 2.966480 -0.953230
O -0.293135 -0.820294 -0.417619
O 0.645536 3.728349 -1.001653
O -2.188644 3.847108 -0.878921
N -5.538984 0.439248 1.304020
C 3.976120 -1.858868 -0.448405
C 2.493541 -1.938527 -0.016856
C 4.976882 -1.764134 0.728467
C 1.547658 -2.180471 -1.213525
C 4.834932 -0.487032 1.590327
C 0.062473 -2.189049 -0.843502
C 5.931973 -0.368039 2.672731
C -0.789727 1.719299 0.632430
C -1.876523 0.715323 0.546580
C -1.611639 -0.589982 0.028195
C -0.918626 1.832716 -2.537900
C -3.189408 1.043559 0.959920
C 5.788974 0.901892 3.539370
C -2.650844 -1.545827 -0.020777
C -4.247617 0.097267 0.894547
C -0.628427 2.704776 -3.755900
C -3.951815 -1.206987 0.406863
H 4.112819 -0.981478 -1.114747
H 4.220768 -2.754765 -1.057147
H 2.194661 -1.004657 0.494342
H 2.370286 -2.759157 0.721454
H 4.864507 -2.657399 1.378858
H 6.009404 -1.803792 0.323606
H 1.785677 -3.155958 -1.685661
H 1.715616 -1.404995 -1.987399
H 3.841409 -0.468946 2.082380
H 4.872688 0.406000 0.931553
H -0.563739 -2.473830 -1.714647
H -0.140299 -2.895176 -0.010871
H 5.901614 -1.267062 3.322415
H 6.927386 -0.373300 2.182849
H -0.906181 2.467586 1.430981
H 0.228705 1.312790 0.577157
H -0.173170 1.042968 -2.352651
H -1.942804 1.431376 -2.495163
H -3.384402 2.058555 1.325105
H 5.847305 1.814743 2.917058
H 6.584347 0.963006 4.304969
H 4.814038 0.917183 4.062488
H -2.465879 -2.556770 -0.394559
H -1.389964 3.494876 -3.873286
H 0.362964 3.182497 -3.669426
H -0.636585 2.077942 -4.667083
H -4.746139 -1.961623 0.358500
H -5.754181 1.385516 1.602923
H -6.300750 -0.228535 1.238639


